Imagine that you are a researcher at a pharmaceutical company who has just disco
ID: 994731 • Letter: I
Question
Imagine that you are a researcher at a pharmaceutical company who has just discovered a new natural product drug candidate (ie a small molecule organic metabolite) that has high potency in your company’s bioactivity assays for cancer.
a) Describe the NMR experiments that you would do to help determine the chemical structure and stereochemistry of this drug candidate.
b) Describe any additional experiments with different techniques and information you might need to fully determine the chemical structure and stereochemistry of this molecule.
c) Describe the NMR experiments that you would do to determine if this compound binds to survivin, a protein that regulates mitosis and apoptosis.
Explanation / Answer
Answer of a : you need to do 1HNMR, 13CNMR, DEPT-135, D2O-Exchange, and if needed HSQC and HMBC
Answer of b : you need to do IR, and mass analysis.
Answer of c : To find out the connection of compound with another compound you need to do HMBC and NOESY